Geometry & MOs

Info

ID:	173658
PubChem CID:	75666929
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-110.88
Dipole, Da:	6.52
IP(EA), eV:	-8.84(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-4-oxo-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C2CCC(CC2NC1=S)C(=O)NC3CCOC4=CC=CC=C34

DOS

IR

Vibrations